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Accessing Grid Resources via Portals and Workflow Tools Sriram Krishnan, Ph. D. sriram@sdsc. edu Accessing Grid Resources via Portals and Workflow Tools Sriram Krishnan, Ph. D. [email protected] edu

NBCR Grid Gemstone PMV/Vision Kepler State Mgmt Application Services Globus Condor pool Globus SGE NBCR Grid Gemstone PMV/Vision Kepler State Mgmt Application Services Globus Condor pool Globus SGE Cluster Security Services (GAMA) Globus PBS Cluster

User Interfaces: Gemstone User Interfaces: Gemstone

User Interfaces: Auto. Dock. Tools (ADT), PMV User Interfaces: Auto. Dock. Tools (ADT), PMV

User Interfaces: What is a Portal? • “A portal is a web based application User Interfaces: What is a Portal? • “A portal is a web based application that commonly provides personalization, single sign on, content aggregation from different sources and hosts the presentation layer of Information Systems”(JSR 168) • Grid/Science Portals build upon the familiar Web portal model, such as Yahoo or Amazon, to deliver the benefits of Grid computing to virtual communities of users, providing a single access point to Grid services and resources.

User Interfaces: Portals • Pros – Ubiquitous access to applications – No need to User Interfaces: Portals • Pros – Ubiquitous access to applications – No need to install complex software • Cons – Limited interaction with local desktop tools – Interfaces may not be rich enough for complex tasks such as visualization – Not very easy to make highly interactive interfaces

User Interfaces: The CAMERA Labs Portal User Interfaces: The CAMERA Labs Portal

CAMERA Labs Demo CAMERA Labs Demo

Portal Technology • Built on top of the Grid. Sphere Portal Framework – http: Portal Technology • Built on top of the Grid. Sphere Portal Framework – http: //www. gridsphere. org • JSR 168 Portlet API compliant – Similar to Servlet API in providing reusable Web applications – Ratified in August 2003 by vendors including BEA, Sun, IBM, Oracle, Plumtree, etc

What is a Portlet? • • Standardized packaging model to share portlet applications among What is a Portlet? • • Standardized packaging model to share portlet applications among portal vendors Builds off Servlet API and spec. so no major surprises for existing Java portal developers Supports window states and mode settings like desktop environment API provides useful methods for storing per user data and configuration settings

What makes Grid. Sphere different? • Already many other OS portals out there: – What makes Grid. Sphere different? • Already many other OS portals out there: – • A handy template build system using Apache Ant: – • • ant new-project Lightweight: no EJB, based on popular, robust libraries – • Jetspeed 2, u. Portal, String. Beans, Exo, Liferay, JBoss e. g. Hibernate for persistence Visual UI tags and beans makes presentation development much easier Support for the Grid!! – – Grid. Portlets offered as add-on webapp Provides Library and collection of portlets for: • Credential support, job launch (GRAM), data transfer (Grid. FTP) • Used by several Cyber. Infrastructure projects like BIRN, NBCR, GEON, CAMERA – Lots of reusable software!

Advanced Usage: Workflows • Need for automation of processes (scientific or otherwise) – An Advanced Usage: Workflows • Need for automation of processes (scientific or otherwise) – An end-to-end application is typically more than a single application run – Must be reproducible and maintainable – Should be easy to compose from individual components

Workflow Scenario: Business bank/CC buy a ticket client confirm travel agent ticket s arrive Workflow Scenario: Business bank/CC buy a ticket client confirm travel agent ticket s arrive delivery airline A airline B

Scientific Workflows: Phylogeny Analysis Local Disk Multiple Sequence Alignment Phylogeny Analysis Tree Visualization Scientific Workflows: Phylogeny Analysis Local Disk Multiple Sequence Alignment Phylogeny Analysis Tree Visualization

Scientific Workflow Systems • Combination of – data integration, analysis, and visualization steps – Scientific Workflow Systems • Combination of – data integration, analysis, and visualization steps – larger, automated "scientific process" • Mission of scientific workflow systems – Promote “scientific discovery” by providing tools and methods to generate scientific workflows – Create an extensible and customizable graphical user interface for scientists from different scientific domains – Support computational experiment creation, execution, sharing, reuse and provenance – Design frameworks which define efficient ways to connect to the existing data and integrate heterogeneous data from multiple resources

Why not just a Python script? • End-users who define, reuse, modify, and specialize Why not just a Python script? • End-users who define, reuse, modify, and specialize workflows would find visual interfaces much easier than scripts – Typically also possible to compile scripts from designed workflows • Other advantages: – – Modular reuse, application interoperability Debugging and monitoring Automated data management (e. g. provenance) Validation (e. g. data, structural, semantic typing) • From integrated modeling to execution, optimization, and archival

Kepler: A Scientific Workflow System www. kepler-project. org • 1 st Beta release (June Kepler: A Scientific Workflow System www. kepler-project. org • 1 st Beta release (June 2, 2006) • Builds upon the open-source Ptolemy II framework Ptolemy II: A laboratory for investigating design KEPLER: A problem-solving environment for Scientific Workflow KEPLER = “Ptolemy II + X” for Scientific Workflows

Actor-Oriented Design • Actor – Encapsulation of parameterized actions – Interface defined by ports Actor-Oriented Design • Actor – Encapsulation of parameterized actions – Interface defined by ports and parameters • Port – Communication between input and output data – Without call-return semantics • Model of computation Actors: Processing Components – Communication semantics among ports – Flow of control – Implementation is a framework

Available Actors • • Generic Web Service Client and Web Service Harvester Customizable RDBMS Available Actors • • Generic Web Service Client and Web Service Harvester Customizable RDBMS query and update Command-line wrapper tools (local, ssh, scp, ftp, etc. ) Some Grid actors – • • Globus Job runner, Grid. FTP-based file access, Proxy Certificate Generator SRB support Imaging, Visualization Support Textual and Graphical Output Some domain-specific actors for Geosciences and Bioinformatics

Directors: Definition of Workflow Semantics • Implement different computational models • Define the semantics Directors: Definition of Workflow Semantics • Implement different computational models • Define the semantics of – execution of actors and workflows – interactions between actors • Kepler is extending Ptolemy directors with specialized ones for Web service based workflows, and distributed workflows • Dataflow • Time Triggered • Synchronous/reactive model • Discrete Event • Wireless • Process Networks • Rendezvous • Publish and Subscribe • Continuous Time • Finite State Machines

Dataflow as a Computation Model • Dataflow: Abstract representation of how data flows in Dataflow as a Computation Model • Dataflow: Abstract representation of how data flows in the system • A dataflow program: a graph – Nodes represent operations, edges represent data paths • Sound, simple, powerful model of parallel computation – NOT having a locus of control makes it simple! – Naturally distributed model of computation: – Asynchronous: Many actors can be ready to fire simultaneously – Execution ("firing") of a node starts when (matching) data is available at a node's input ports. – Locally controlled events – Events correspond to the “firing” of an actor – Actor: – A single instruction – A sequence of instructions – Actors fire when all the inputs are available

Vergil is the GUI for Kepler Actor Search Data Search • Actor ontology and Vergil is the GUI for Kepler Actor Search Data Search • Actor ontology and semantic search for actors • Search -> Drag and drop -> Link via ports • Metadata-based search for datasets

Actor Search • Kepler Actor Ontology • Used in searching actors and creating conceptual Actor Search • Kepler Actor Ontology • Used in searching actors and creating conceptual views (= folders) Currently more than 200 Kepler actors added!

Kepler Provenance Framework • OPTIONAL! – Modeled as a separate concern in the system Kepler Provenance Framework • OPTIONAL! – Modeled as a separate concern in the system – Listens to the execution and saves information customized by a set of parameters • • Context: who, what, where, when, and why that is associated with the run Input data and its associated metadata Workflow outputs and intermediate data products Workflow definition (entities, parameters, connections): a specification of what exists in the workflow and can have a context of its own • Information about the workflow evolution -- workflow trail • Types of Provenance Information: – Data provenance • Intermediate and end results including files and db references – Process provenance • Keep the workflow definition with data and parameters used in the run – Error and execution logs – Workflow design provenance

Kepler Provenance Recording Utility • Parametric and customizable – Different report formats – Variable Kepler Provenance Recording Utility • Parametric and customizable – Different report formats – Variable levels of detail • Verbose-all, verbose-some, medium, on error – Multiple cache destinations • Saves information on – User name, Date, Run, etc…

Kepler Basics: Hello World Demo Kepler Basics: Hello World Demo

Advanced Kepler: MEME-MAST Workflow Advanced Kepler: MEME-MAST Workflow

Advantages of Scientific Workflow Systems • Formalization of the scientific process • Easy to Advantages of Scientific Workflow Systems • Formalization of the scientific process • Easy to share, adapt and reuse – Deployable, customizable, extensible • Management of complexity and usability – Support for hierarchical composition – Interfaces to different technologies from a unified interface – Can be annotated with domain-knowledge • Tracking provenance of the data and processes – Keep the association of results to processes – Make it easier to validate/regenerate results and processes – Enable comparison between different workflow versions • Execution monitoring and fault tolerance • Interaction with multiple tools and resources at once

Summary • Presented access to Grid applications via Portals and Workflow tools • References Summary • Presented access to Grid applications via Portals and Workflow tools • References – PMV, ADT: http: //mgltools. scripps. edu/ – CAMERA: http: //camera. calit 2. net – Grid. Sphere: http: //www. gridsphere. org – Kepler: http: //www. kepler-project. org

Acknowledgements • CAMERA labs portal built in conjunction with the rest of the CAMERA Acknowledgements • CAMERA labs portal built in conjunction with the rest of the CAMERA team • Several slides borrowed from Kepler tutorials presented by Ilkay Altintas [[email protected] edu]